1-(4-hydroxy-3-methoxyphenyl)-N-[4-[4-(pentafluoro-λ6-sulfanyl)phenoxy]phenyl]piperidine-3-carboxamide

C25H25F5N2O4S — CID 170345295

IUPAC1-(4-hydroxy-3-methoxyphenyl)-N-[4-[4-(pentafluoro-λ6-sulfanyl)phenoxy]phenyl]piperidine-3-carboxamide
SMILESCOc1cc(N2CCCC(C(=O)Nc3ccc(Oc4ccc(S(F)(F)(F)(F)F)cc4)cc3)C2)ccc1O
InChIInChI=1S/C25H25F5N2O4S/c1-35-24-15-19(6-13-23(24)33)32-14-2-3-17(16-32)25(34)31-18-4-7-20(8-5-18)36-21-9-11-22(12-10-21)37(26,27,28,29)30/h4-13,15,17,33H,2-3,14,16H2,1H3,(H,31,34)
InChIKeyWAENIOLOMJNDQE-UHFFFAOYSA-N
MW544.54 g/mol
LogP7.71
Rot. Bonds7

About 1-(4-hydroxy-3-methoxyphenyl)-N-[4-[4-(pentafluoro-λ6-sulfanyl)phenoxy]phenyl]piperidine-3-carboxamide

1-(4-hydroxy-3-methoxyphenyl)-N-[4-[4-(pentafluoro-λ6-sulfanyl)phenoxy]phenyl]piperidine-3-carboxamide (PubChem CID 170345295) has the molecular formula C25H25F5N2O4S and a molecular weight of 544.54 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methoxyphenyl)-N-[4-[4-(pentafluoro-λ6-sulfanyl)phenoxy]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-hydroxy-3-methoxyphenyl)-N-[4-[4-(pentafluoro-λ6-sulfanyl)phenoxy]phenyl]piperidine-3-carboxamide
PubChem CID170345295
Molecular FormulaC25H25F5N2O4S
Molecular Weight544.54 g/mol
Exact Mass544.15
IUPAC Name1-(4-hydroxy-3-methoxyphenyl)-N-[4-[4-(pentafluoro-λ6-sulfanyl)phenoxy]phenyl]piperidine-3-carboxamide
SMILESCOc1cc(N2CCCC(C(=O)Nc3ccc(Oc4ccc(S(F)(F)(F)(F)F)cc4)cc3)C2)ccc1O
InChIInChI=1S/C25H25F5N2O4S/c1-35-24-15-19(6-13-23(24)33)32-14-2-3-17(16-32)25(34)31-18-4-7-20(8-5-18)36-21-9-11-22(12-10-21)37(26,27,28,29)30/h4-13,15,17,33H,2-3,14,16H2,1H3,(H,31,34)
InChIKeyWAENIOLOMJNDQE-UHFFFAOYSA-N
XLogP7.71
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.54
LogP ≤ 57.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-hydroxy-5-piperidin-1-ylphenoxy)phenyl]acetamide
CID 69120523
N-(4-methoxyphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203894
1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 82537806
(3R)-N-[4-(4-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047724
(3R)-N-[4-(2-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047726
(3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 96595344
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]cyclopentanecarboxamide
CID 71809591
methyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 117028088
N-(3,4-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519727
N-[4-(2-methoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55559806
(3R)-1-(6-methoxypyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 97264345
N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43066391

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methoxyphenyl)-N-[4-[4-(pentafluoro-λ6-sulfanyl)phenoxy]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-hydroxy-3-methoxyphenyl)-N-[4-[4-(pentafluoro-λ6-sulfanyl)phenoxy]phenyl]piperidine-3-carboxamide (CID 170345295) is 1-(4-hydroxy-3-methoxyphenyl)-N-[4-[4-(pentafluoro-λ6-sulfanyl)phenoxy]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-hydroxy-3-methoxyphenyl)-N-[4-[4-(pentafluoro-λ6-sulfanyl)phenoxy]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-hydroxy-3-methoxyphenyl)-N-[4-[4-(pentafluoro-λ6-sulfanyl)phenoxy]phenyl]piperidine-3-carboxamide is COc1cc(N2CCCC(C(=O)Nc3ccc(Oc4ccc(S(F)(F)(F)(F)F)cc4)cc3)C2)ccc1O.
What is the InChIKey of 1-(4-hydroxy-3-methoxyphenyl)-N-[4-[4-(pentafluoro-λ6-sulfanyl)phenoxy]phenyl]piperidine-3-carboxamide?
The InChIKey is WAENIOLOMJNDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F5N2O4S/c1-35-24-15-19(6-13-23(24)33)32-14-2-3-17(16-32)25(34)31-18-4-7-20(8-5-18)36-21-9-11-22(12-10-21)37(26,27,28,29)30/h4-13,15,17,33H,2-3,14,16H2,1H3,(H,31,34).
What are the key properties of 1-(4-hydroxy-3-methoxyphenyl)-N-[4-[4-(pentafluoro-λ6-sulfanyl)phenoxy]phenyl]piperidine-3-carboxamide?
1-(4-hydroxy-3-methoxyphenyl)-N-[4-[4-(pentafluoro-λ6-sulfanyl)phenoxy]phenyl]piperidine-3-carboxamide has a molecular weight of 544.54 g/mol, XLogP of 7.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methoxyphenyl)-N-[4-[4-(pentafluoro-λ6-sulfanyl)phenoxy]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 170345295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).